Chemical ID: 4601958

CC1=CC(Nc2c1cc(cc2)O)(C)C
Chemical ID:
4601958
Name [?]:
2,2,4-trimethyl-1H-quinolin-6-ol
SMILES [?]:
CC1=CC(Nc2c1cc(cc2)O)(C)C
InChi [?]:
InChI=1/C12H15NO/c1-8-7-12(2,3)13-11-5-4-9(14)6-10(8)11/h4-7,13-14H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,13,14,10,11,8,3,2,9,7,6,4,5,12/E:(2,3)/rA:14nCCCCNCCCCCCOCC/rB:s1;d2;s3;s4;s5;s2s6;d7;s8;d9;d6s10;s9;s4;s4;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H15NO
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:7.12823
Area:353.964
Solvation:-1.72088
Coulombic:-28.4018
Bond Count [?]
All:15
Single:11
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:189.254
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:2.54
LogP (Chemaxon):2.24

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Descriptor Annotations

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